2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C26H33N3O4 — CID 646726

IUPAC2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33N3O4/c1-2-33-22-9-7-20(8-10-22)26(31)21-11-13-28(14-12-21)19-25(30)27-23-5-3-4-6-24(23)29-15-17-32-18-16-29/h3-10,21H,2,11-19H2,1H3,(H,27,30)
InChIKeyRGBJBOSPWQWTMB-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.46
Rot. Bonds8

About 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 646726) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID646726
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1
InChIInChI=1S/C26H33N3O4/c1-2-33-22-9-7-20(8-10-22)26(31)21-11-13-28(14-12-21)19-25(30)27-23-5-3-4-6-24(23)29-15-17-32-18-16-29/h3-10,21H,2,11-19H2,1H3,(H,27,30)
InChIKeyRGBJBOSPWQWTMB-UHFFFAOYSA-N
XLogP3.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 646726) is 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is CCOc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is RGBJBOSPWQWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-2-33-22-9-7-20(8-10-22)26(31)21-11-13-28(14-12-21)19-25(30)27-23-5-3-4-6-24(23)29-15-17-32-18-16-29/h3-10,21H,2,11-19H2,1H3,(H,27,30).
What are the key properties of 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxybenzoyl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 646726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).